SCHEMBL19972721

SCHEMBL19972721

CC(C)N(C)C(=O)c1cc(F)ccc1-n1c(=S)n(C2CCCNC2)c2ccncc21

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 1/20 0.34
HTR6 P50406 3/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
KDM5A P29375 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
GPBAR1 Q8TDU6 2/20 0.31
HCRTR1 O43613 2/20 0.30
HCRTR2 O43614 2/20 0.30
TACR1 P25103 4/20 0.30
CDK4 P11802 1/20 0.30
AXL P30530 1/20 0.30
MERTK Q12866 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21141106 0.82 PLAT (0.37) KDM5AKDM4CKDM5B
Hydrochloric Acid SCHEMBL30265924 0.82 PLAT (0.36) KDM5AKDM4CKDM5B
Hydrochloric Acid SCHEMBL19972611 0.82 PLAT (0.36) KDM5AKDM4CKDM5B
SCHEMBL19972615 0.81 GPR119 (0.38) CCNT1CDK9GPBAR1
SCHEMBL30524054 0.81 GPR119 (0.38) CCNT1CDK9GPBAR1
SCHEMBL19972562 0.78 IDO1 (0.34)
SCHEMBL30265752 0.78 IDO1 (0.34)
SCHEMBL19972695 0.77 HTR6 (0.37) HTR6SLC6A2SLC6A4SLC6A3CCNT1
SCHEMBL31001722 0.77 HTR6 (0.37) HTR6SLC6A2SLC6A4SLC6A3CCNT1
Hydrochloric Acid SCHEMBL19972576 0.76 HTR6 (0.36) HTR6SLC6A2SLC6A4SLC6A3CCNT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240124447-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, LLC (US) 2024-04-18 US disclosed
US-11739085-B2 Inhibitors of the menin-MLL interaction VITAE PHARMACEUTICALS, LLC (US) 2023-08-29 US disclosed
US-11739085-B2 Inhibitors of the menin-MLL interaction VITAE PHARMACEUTICALS, LLC (US) 2023-08-29 US disclosed
EP-4230627-A2 INHIBITORS OF THE MENIN-MLL INTERACTION Vitae Pharmaceuticals, LLC (US) 2023-08-23 EP disclosed
EP-3512850-B1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS LLC (US) 2023-04-12 EP disclosed
US-20210179611-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, LLC (US) 2021-06-17 US disclosed
EP-3512850-A1 INHIBITORS OF THE MENIN-MLL INTERACTION Vitae Pharmaceuticals, Inc. (US) 2019-07-24 EP disclosed
US-20190202830-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, INC. 2019-07-04 US disclosed
WO-2018053267-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, INC. (US) 2018-03-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11739085-B2 Inhibitors of the menin-MLL interaction MLLT1, MEN1, MLLT3 RPS6KA5 1825/4885HTR6 4242/4885HTR2C 4703/4885
US-20190202830-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 RPS6KA5 1825/4885HTR6 4242/4885HTR2C 4703/4885
US-20240124447-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 RPS6KA5 1825/4885HTR6 4242/4885HTR2C 4703/4885
US-20210179611-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 RPS6KA5 1825/4885HTR6 4242/4885HTR2C 4703/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.